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Home > Nitro Compounds > 66778-20-9
66778-20-9 | Benzothiazole, 2-[(1-methylethyl)sulfonyl]-6-nitro-
CAS No: 66778-20-9 Catalog No: AG00H6DN MDL No:
Product Description
Catalog Number:
AG00H6DN
Chemical Name:
Benzothiazole, 2-[(1-methylethyl)sulfonyl]-6-nitro-
CAS Number:
66778-20-9
Molecular Formula:
C10H10N2O4S2
Molecular Weight:
286.3274
IUPAC Name:
6-nitro-2-propan-2-ylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C10H10N2O4S2/c1-6(2)18(15,16)10-11-8-4-3-7(12(13)14)5-9(8)17-10/h3-6H,1-2H3
InChI Key:
GODIQEJZQYJWGT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(n2)S(=O)(=O)C(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.32g/mol
Monoisotopic Mass:
286.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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